General Information of the Compound
Compound ID
CP0054852
Compound Name
1-(2-aminoethyl)-2-piperidin-4-ylbenzimidazole-5-carboxamide
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Structure
Formula
C15H21N5O
Molecular Weight
287.367
Canonical SMILES
NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
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InChI
InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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InChIKey
XMMZUEFCWDQOPI-UHFFFAOYSA-N
Physicochemical Property
logP
0.5609
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
98.96
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 122192069
ChEMBL ID
CHEMBL3622826